Geometry & MOs

Info

ID:	185777
PubChem CID:	77346036
Reduced:	NSO7C12H13 (1)
Stoich.:	ABC7D12E13 (1)
Weight, g/mol:	430.254166
ΔH_f, kcal/mol:	-261.51
Dipole, Da:	3.24
IP(EA), eV:	-9.22(-1.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

10,13-dimethyl-16-(4-methylsulfonylphenoxy)-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthrene

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)S(=O)N(C(CCC(=O)O)C(=O)O)C(=O)O

DOS

IR

Vibrations